[5-acetamido-4-acetyloxy-6-amino-2-(hydroxymethyl)oxan-3-yl] acetate

C12H20N2O7 — CID 129227864

IUPAC[5-acetamido-4-acetyloxy-6-amino-2-(hydroxymethyl)oxan-3-yl] acetate
SMILESCC(=O)NC1C(N)OC(CO)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C12H20N2O7/c1-5(16)14-9-11(20-7(3)18)10(19-6(2)17)8(4-15)21-12(9)13/h8-12,15H,4,13H2,1-3H3,(H,14,16)
InChIKeyCILIKUZZECLFLA-UHFFFAOYSA-N
MW304.30 g/mol
LogP-1.97
Rot. Bonds4

About [5-acetamido-4-acetyloxy-6-amino-2-(hydroxymethyl)oxan-3-yl] acetate

[5-acetamido-4-acetyloxy-6-amino-2-(hydroxymethyl)oxan-3-yl] acetate (PubChem CID 129227864) has the molecular formula C12H20N2O7 and a molecular weight of 304.30 g/mol. Its IUPAC name is [5-acetamido-4-acetyloxy-6-amino-2-(hydroxymethyl)oxan-3-yl] acetate.

Molecular Properties

Compound Name[5-acetamido-4-acetyloxy-6-amino-2-(hydroxymethyl)oxan-3-yl] acetate
PubChem CID129227864
Molecular FormulaC12H20N2O7
Molecular Weight304.30 g/mol
Exact Mass304.13
IUPAC Name[5-acetamido-4-acetyloxy-6-amino-2-(hydroxymethyl)oxan-3-yl] acetate
SMILESCC(=O)NC1C(N)OC(CO)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C12H20N2O7/c1-5(16)14-9-11(20-7(3)18)10(19-6(2)17)8(4-15)21-12(9)13/h8-12,15H,4,13H2,1-3H3,(H,14,16)
InChIKeyCILIKUZZECLFLA-UHFFFAOYSA-N
XLogP-1.97
TPSA137.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 5-1.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [5-acetamido-4-acetyloxy-6-amino-2-(hydroxymethyl)oxan-3-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S,4R)-5-acetamido-4-acetyloxy-6-hydroxy-2-(hydroxymethyl)oxan-3-yl] acetate
CID 71312900
[(2R,3R,4S)-5-amino-4-chloro-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 70192411
[(2R,3S,4S,5S,6R)-5-acetamido-4-acetyloxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-3-yl] acetate
CID 124801836
[(2R,3R,4R,5R,6S)-5-acetamido-4-acetyloxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-3-yl] acetate
CID 14238633
[3-acetamido-2-amino-5-hydroxy-6-(methylsulfonyloxymethyl)oxan-4-yl] acetate
CID 167078937
[(2S,3R,4R,5S,6S)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] acetate
CID 40592500
[(2R,3S,4S,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] acetate
CID 95304130
[(2R,3R,4R,5S,6R)-5-acetamido-4-acetyloxy-2-(hydroxymethyl)-6-(2-prop-2-enoxyethyl)oxan-3-yl] acetate
CID 142653413
[(3S,4S)-5-acetamido-4-acetyloxy-2-ethyl-6-methyloxan-3-yl] acetate
CID 129087954
[(3S,4R,6R)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 24802160
[(2R,3S,4R,5R)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 2817447
[(2R,3R,4S,5R,6S)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 26470295

Frequently Asked Questions

What is the IUPAC name of [5-acetamido-4-acetyloxy-6-amino-2-(hydroxymethyl)oxan-3-yl] acetate?
The IUPAC name of [5-acetamido-4-acetyloxy-6-amino-2-(hydroxymethyl)oxan-3-yl] acetate (CID 129227864) is [5-acetamido-4-acetyloxy-6-amino-2-(hydroxymethyl)oxan-3-yl] acetate.
What is the SMILES notation for [5-acetamido-4-acetyloxy-6-amino-2-(hydroxymethyl)oxan-3-yl] acetate?
The canonical SMILES for [5-acetamido-4-acetyloxy-6-amino-2-(hydroxymethyl)oxan-3-yl] acetate is CC(=O)NC1C(N)OC(CO)C(OC(C)=O)C1OC(C)=O.
What is the InChIKey of [5-acetamido-4-acetyloxy-6-amino-2-(hydroxymethyl)oxan-3-yl] acetate?
The InChIKey is CILIKUZZECLFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O7/c1-5(16)14-9-11(20-7(3)18)10(19-6(2)17)8(4-15)21-12(9)13/h8-12,15H,4,13H2,1-3H3,(H,14,16).
What are the key properties of [5-acetamido-4-acetyloxy-6-amino-2-(hydroxymethyl)oxan-3-yl] acetate?
[5-acetamido-4-acetyloxy-6-amino-2-(hydroxymethyl)oxan-3-yl] acetate has a molecular weight of 304.30 g/mol, XLogP of -1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-acetamido-4-acetyloxy-6-amino-2-(hydroxymethyl)oxan-3-yl] acetate is sourced from PubChem (CID 129227864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).